Al3H8
Alexandria ALEXAlex-ID: agm095040945 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_255_spg8
AlH3 Al
2025-06-11 21:27:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095040945).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm095040945
data_agm095040945
_cell_length_a 3.66859
_cell_length_b 4.92035
_cell_length_c 5.78979
_cell_angle_alpha 118.69503
_cell_angle_beta 107.75201
_cell_angle_gamma 91.05315
_cell_volume 85.59468
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1 Al 0.33463 0.65555 0.33360 1.00000
Al2 Al 0.00499 0.25143 0.65942 1.00000
Al3 Al 0.45320 0.95914 0.00511 1.00000
H1 H 0.25784 0.59376 0.63774 1.00000
H2 H 0.63359 0.30568 0.36909 1.00000
H3 H 0.42196 0.19315 0.86903 1.00000
H4 H 0.55896 0.71686 0.13150 1.00000
H5 H 0.16411 0.99939 0.39890 1.00000
H6 H 0.75625 0.90812 0.60002 1.00000
H7 H 0.95491 0.45683 0.99299 1.00000
H8 H 0.95957 0.96010 0.00261 1.00000
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